| SpectraBase Spectrum ID |
48c3KWINeCB |
| Name |
Methyl (-)-4-(4-metoxyphenyl)-3-methyl-4-oxobutanoate |
| Appearance |
Pale yellow oil |
| Carrier Gas |
Helium (80 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| GC Column |
SUPELCO SIMPLICITYTM (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 230oC |
| InChI |
InChI=1S/C13H16O4/c1-9(8-12(14)17-3)13(15)10-4-6-11(16-2)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m0/s1 |
| InChIKey |
GYQYFDCZPHPZLT-VIFPVBQESA-N |
| Instrument Name |
SHIMADZU GCMS-QP 5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0002.608 |
| Molecular Weight |
236.267 g/mol |
| Optical Rotation |
[a]D25 = -15 (c = 0.55, CHCl3) |
| Quality |
152 |
| Reported Formula |
C13H16O4 |
| SMILES |
C1=CC(=CC=C1OC)C(=O)[C@](CC(=O)OC)(C)[H] |
| SPLASH |
splash10-000i-1900000000-ef30220b4ad05e1d5a17 |
| Sample Comments |
99% ee |
| Source of Spectrum |
ARK-2001-91-3e (DOI: 10.3998/ark.5550190.0002.608) |
| Wiley ID |
1908776 |
